| CAS Number | 1461706-26-2 |
| Catalog Number | AG01ABYU |
| Chemical Name | Methyl 4-(benzyloxy)-3-methoxy-2-nitrobenzoate |
| IUPAC Name | methyl 3-methoxy-2-nitro-4-phenylmethoxybenzoate |
| InChI | InChI=1S/C16H15NO6/c1-21-15-13(23-10-11-6-4-3-5-7-11)9-8-12(16(18)22-2)14(15)17(19)20/h3-9H,10H2,1-2H3 |
| InChI Key | YTFYZTJUHUKZGK-UHFFFAOYSA-N |
| MDL Number | MFCD26407791 |
| Molecular Formula | C16H15NO6 |
| Molecular Weight | 317.2934 |
| SMILES | O=C(OC)C1=CC=C(OCC2=CC=CC=C2)C(OC)=C1[N+]([O-])=O |
| Synonyms | methyl 4-(benzyloxy)-3-methoxy-2-nitrobenzoate,
1461706-26-2,
ZINC95829373,
|
| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.297g/mol |
| Monoisotopic Mass | 317.09g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 90.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number